SCHEMBL3581331

SCHEMBL3581331

NN(C(=O)C(F)c1ccc2cc(C(=O)O)sc2c1)c1cccc(-c2cccs2)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.35
BCL2L1 Q07817 1/20 0.34
DHODH Q02127 1/20 0.34
PSMB5 P28074 1/20 0.33
PTPN22 Q9Y2R2 1/20 0.33
HDAC3 O15379 4/20 0.32
HDAC1 Q13547 4/20 0.32
HDAC2 Q92769 4/20 0.32
C1S P09871 2/20 0.32
KAT6A Q92794 1/20 0.32
CFD P00746 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CETP P11597 1/20 0.32
FFAR1 O14842 1/20 0.31
PTPN1 P18031 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3581325 0.76 HDAC2 (0.56) KCNH2HDAC3HDAC1HDAC2
SCHEMBL4311941 0.72 KCNH2 (0.39) KCNH2PSMB5HDAC3HDAC1HDAC2
SCHEMBL3571329 0.70 BCL2L1 (0.49) BCL2L1HDAC3HDAC1HDAC2HDAC6
SCHEMBL8227618 0.69 HDAC1 (0.53) KCNH2HDAC3HDAC1HDAC2HDAC6
SCHEMBL15697583 0.68 BCL2L1 (0.53) KCNH2BCL2L1HDAC3HDAC1HDAC2
SCHEMBL4577912 0.68 KDM4E (0.44) HDAC3HDAC1HDAC2KAT6APTPN1
SCHEMBL4312315 0.67 KCNH2 (0.41) KCNH2HDAC3HDAC1HDAC2KAT6A
SCHEMBL27607717 0.66 HDAC1 (0.47) KCNH2HDAC3HDAC1HDAC2KAT6A
SCHEMBL3573993 0.65 BCL2L1 (0.45) BCL2L1HDAC3HDAC1HDAC2HDAC6
SCHEMBL3562088 0.65 BCL2L1 (0.49) BCL2L1HDAC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834034-B2 Benzothiophene derivatives MERCK SHARP & DOHME CORP. (US) 2010-11-16 US claimed
US-20090012075-A1 Fluorinated Arylamide Derivatives MERCK SHARP & DOHME CORP. 2009-01-08 US claimed
EP-1976511-A2 FLUORINATED ARYLAMIDE DERIVATIVES Merck & Co., Inc. (US) 2008-10-08 EP claimed
WO-2007087129-A2 FLUORINATED ARYLAMIDE DERIVATIVES MERCK & CO., INC. (US) 2007-08-02 WO claimed
US-7834034-B2 Benzothiophene derivatives MERCK SHARP & DOHME CORP. (US) 2010-11-16 US disclosed
EP-1874295-A4 BENZOTHIOPHENE DERIVATIVES MERCK & CO INC (US) 2009-08-12 EP disclosed
US-20090082308-A1 Benzothiophene derivatives MERCK SHARP & DOHME LLC 2009-03-26 US disclosed
US-20090012075-A1 Fluorinated Arylamide Derivatives MERCK SHARP & DOHME CORP. 2009-01-08 US disclosed
EP-1874295-A1 BENZOTHIOPHENE DERIVATIVES Merck & Co., Inc. (US) 2008-01-09 EP disclosed
WO-2006115845-A1 BENZOTHIOPHENE DERIVATIVES MERCK & CO., INC. (US) 2006-11-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090012075-A1 Fluorinated Arylamide Derivatives HDAC5, AADAC, HDAC6 KCNH2 3254/4885BCL2L1 352/4885DHODH 2570/4885
US-20090082308-A1 Benzothiophene derivatives BRDT, HDAC5, BRPF3 KCNH2 4201/4885BCL2L1 156/4885DHODH 1618/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.